7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione

C15H10ClFN2O3 — CID 156514105

IUPAC7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione
SMILESCOc1cccc(-n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)c1F
InChIInChI=1S/C15H10ClFN2O3/c1-22-12-4-2-3-10(13(12)17)19-11-7-8(16)5-6-9(11)14(20)18-15(19)21/h2-7H,1H3,(H,18,20,21)
InChIKeyGPIUHLIFCDANAW-UHFFFAOYSA-N
MW320.71 g/mol
LogP2.48
Rot. Bonds2

About 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione

7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione (PubChem CID 156514105) has the molecular formula C15H10ClFN2O3 and a molecular weight of 320.71 g/mol. Its IUPAC name is 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione
PubChem CID156514105
Molecular FormulaC15H10ClFN2O3
Molecular Weight320.71 g/mol
Exact Mass320.04
IUPAC Name7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione
SMILESCOc1cccc(-n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)c1F
InChIInChI=1S/C15H10ClFN2O3/c1-22-12-4-2-3-10(13(12)17)19-11-7-8(16)5-6-9(11)14(20)18-15(19)21/h2-7H,1H3,(H,18,20,21)
InChIKeyGPIUHLIFCDANAW-UHFFFAOYSA-N
XLogP2.48
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione?
The IUPAC name of 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione (CID 156514105) is 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione is COc1cccc(-n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)c1F.
What is the InChIKey of 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione?
The InChIKey is GPIUHLIFCDANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O3/c1-22-12-4-2-3-10(13(12)17)19-11-7-8(16)5-6-9(11)14(20)18-15(19)21/h2-7H,1H3,(H,18,20,21).
What are the key properties of 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione?
7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione has a molecular weight of 320.71 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione is sourced from PubChem (CID 156514105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).